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Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 2-ethylhexyl ester

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Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 2-ethylhexyl ester
SpectraBase Compound ID 7iI6dtVolTa
InChI InChI=1S/C25H42O3/c1-9-11-12-18(10-2)17-28-22(26)14-13-19-15-20(24(3,4)5)23(27)21(16-19)25(6,7)8/h15-16,18,27H,9-14,17H2,1-8H3
InChIKey YSLFJMFSTOJEDL-UHFFFAOYSA-N
Mol Weight 390.6 g/mol
Molecular Formula C25H42O3
Exact Mass 390.313395 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K0pE10oM1l4
Name Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 2-ethylhexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 390.313395209 u
Formula C25H42O3
InChI InChI=1S/C25H42O3/c1-9-11-12-18(10-2)17-28-22(26)14-13-19-15-20(24(3,4)5)23(27)21(16-19)25(6,7)8/h15-16,18,27H,9-14,17H2,1-8H3
InChIKey YSLFJMFSTOJEDL-UHFFFAOYSA-N
Molecular Weight 390.608 g/mol
SMILES C1(=C(C=C(C=C1C(C)(C)C)CCC(OCC(CCCC)CC)=O)C(C)(C)C)O